{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.234387 0.484314 0.746383 ] [ 0.234387 0.015686 0.246383 ] [ 0.765613 0.984314 0.753617 ] [ 0.765613 0.515686 0.253617 ] [ 0.277969 0.971271 0.730692 ] [ 0.722031 0.471271 0.769308 ] [ 0.277969 0.528729 0.230692 ] [ 0.722031 0.028729 0.269308 ] [ 0.133251 0.136007 0.871729 ] [ 0.133251 0.363993 0.371729 ] [ 0.365519 0.865769 0.641286 ] [ 0.634481 0.365769 0.858714 ] [ 0.365519 0.634231 0.141286 ] [ 0.634481 0.134231 0.358714 ] [ 0.866749 0.636007 0.628271 ] [ 0.866749 0.863993 0.128271 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.88720907 "source-unit" "angstrom" } "b" { "source-value" 5.43437453 "source-unit" "angstrom" } "c" { "source-value" 5.89341297 "source-unit" "angstrom" } "beta" { "source-value" 108.49354278 "source-unit" "degree" } }